Cas no 5421-44-3 ((4-bromophenyl) 4-methoxybenzoate)

(4-bromophenyl) 4-methoxybenzoate structure
5421-44-3 structure
Product Name:(4-bromophenyl) 4-methoxybenzoate
CAS No:5421-44-3
MF:C14H11BrO3
MW:307.139343500137
CID:1587958
PubChem ID:221842
Update Time:2025-04-21

(4-bromophenyl) 4-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • (4-bromophenyl) 4-methoxybenzoate
    • p-Anisic acid, p-bromophenyl ester
    • NIOSH/DH3528500
    • 4-bromophenyl 4-methoxybenzoate
    • NSC6918
    • AC1L5AWW
    • AC1Q26X2
    • (4-bromophenyl)4-methoxybenzoate
    • CTK5A0030
    • p-Anisic acid, p-bromophenyl ester; NIOSH/DH3528500; 4-bromophenyl 4-methoxybenzoate; NSC6918; 4-Bromophenyl 4-methoxybenzoate; AC1L5AWW; AC1Q26X2; (4-bromophenyl)4-methoxybenzoate; CTK5A0030;
    • Benzoic acid, 4-methoxy-, 4-bromophenyl ester
    • DH35285000
    • DTXSID60278288
    • AKOS002948010
    • 5421-44-3
    • NSC-6918
    • Inchi: 1S/C14H11BrO3/c1-17-12-6-2-10(3-7-12)14(16)18-13-8-4-11(15)5-9-13/h2-9H,1H3
    • InChI Key: FTBVLXGEBKGONM-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OC(C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 305.98913
  • Monoisotopic Mass: 305.989
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 266
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.441
  • Boiling Point: 409.4°C at 760 mmHg
  • Flash Point: 201.4°C
  • Refractive Index: 1.593
  • PSA: 35.53
  • LogP: 3.67690
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